1-(2-oxo-3,3-diphenylpropyl)piperidine-3-carboxylic acid;hydrochloride

C21H24ClNO3 — CID 45261948

IUPAC1-(2-oxo-3,3-diphenylpropyl)piperidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCCN(CC(=O)C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C21H23NO3.ClH/c23-19(15-22-13-7-12-18(14-22)21(24)25)20(16-8-3-1-4-9-16)17-10-5-2-6-11-17;/h1-6,8-11,18,20H,7,12-15H2,(H,24,25);1H
InChIKeyNEXHVJSBVIRXTN-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.61
Rot. Bonds6

About 1-(2-oxo-3,3-diphenylpropyl)piperidine-3-carboxylic acid;hydrochloride

1-(2-oxo-3,3-diphenylpropyl)piperidine-3-carboxylic acid;hydrochloride (PubChem CID 45261948) has the molecular formula C21H24ClNO3 and a molecular weight of 373.88 g/mol. Its IUPAC name is 1-(2-oxo-3,3-diphenylpropyl)piperidine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-(2-oxo-3,3-diphenylpropyl)piperidine-3-carboxylic acid;hydrochloride
PubChem CID45261948
Molecular FormulaC21H24ClNO3
Molecular Weight373.88 g/mol
Exact Mass373.14
IUPAC Name1-(2-oxo-3,3-diphenylpropyl)piperidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCCN(CC(=O)C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C21H23NO3.ClH/c23-19(15-22-13-7-12-18(14-22)21(24)25)20(16-8-3-1-4-9-16)17-10-5-2-6-11-17;/h1-6,8-11,18,20H,7,12-15H2,(H,24,25);1H
InChIKeyNEXHVJSBVIRXTN-UHFFFAOYSA-N
XLogP3.61
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(oxan-4-yl)-3-phenylpropyl]piperidine-3-carboxylic acid
CID 173212043
1-[3-(N-phenylanilino)propyl]piperidine-3-carboxylic acid;hydrochloride
CID 70230026
(3R)-1-[6-(N-phenylanilino)hexyl]piperidine-3-carboxylic acid;hydrochloride
CID 45261987
(3R)-1-(2,2-diphenylethyl)piperidine-3-carboxamide
CID 26458129
(3S)-1-(2,2-diphenylethyl)piperidine-3-carboxamide
CID 26458131
(3R)-1-(4-phenoxybutyl)piperidine-3-carboxylic acid;hydrochloride
CID 67723520
(3R)-1-[2-[benzyl(ethyl)amino]-2-oxoethyl]piperidine-3-carboxylic acid
CID 39432909
(3R)-1-[(S)-carboxy(phenyl)methyl]piperidine-3-carboxylic acid
CID 129430805
1-[(2-propan-2-yloxyphenyl)methyl]piperidine-3-carboxylic acid
CID 54848340
3-(4-benzylpiperazin-1-yl)-1,1-diphenylpropan-2-one
CID 23436784
(3R)-1-[(2S)-2-phenylpropyl]pyrrolidine-3-carboxylic acid
CID 129413679
1-(3-amino-2-phenylpropanoyl)piperidine-3-carboxylic acid
CID 62877152

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-3,3-diphenylpropyl)piperidine-3-carboxylic acid;hydrochloride?
The IUPAC name of 1-(2-oxo-3,3-diphenylpropyl)piperidine-3-carboxylic acid;hydrochloride (CID 45261948) is 1-(2-oxo-3,3-diphenylpropyl)piperidine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-(2-oxo-3,3-diphenylpropyl)piperidine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 1-(2-oxo-3,3-diphenylpropyl)piperidine-3-carboxylic acid;hydrochloride is Cl.O=C(O)C1CCCN(CC(=O)C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 1-(2-oxo-3,3-diphenylpropyl)piperidine-3-carboxylic acid;hydrochloride?
The InChIKey is NEXHVJSBVIRXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3.ClH/c23-19(15-22-13-7-12-18(14-22)21(24)25)20(16-8-3-1-4-9-16)17-10-5-2-6-11-17;/h1-6,8-11,18,20H,7,12-15H2,(H,24,25);1H.
What are the key properties of 1-(2-oxo-3,3-diphenylpropyl)piperidine-3-carboxylic acid;hydrochloride?
1-(2-oxo-3,3-diphenylpropyl)piperidine-3-carboxylic acid;hydrochloride has a molecular weight of 373.88 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-3,3-diphenylpropyl)piperidine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 45261948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).